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1145-01-3

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1145-01-3 Structure

1145-01-3 Structure
IdentificationBack Directory
[Name]

3,5-DIPHENYLPYRAZOLE
[CAS]

1145-01-3
[Synonyms]

3,5-DIPHENYLPYRAZOLE
Pyrazole,3,5-diphenyl-
3,5-diphenyl-1h-pyrazol
Pyrazole, 3,5-diphenyl-
3,5-DIPHENYL-1H-PYRAZOLE
3,5-DIPHENYLPYRAZOLE 99%
3,5-Diphenylpyrazole,99%
1H-Pyrazole,3,5-diphenyl-
1H-Pyrazole, 3,5-diphenyl-
3,5-Diphenylpyrazole, 98+%
3,5-Diphenyl-1H-pyrazole, 98+%
3-CHLORO-2-THIOPHENECARBONITRILE
[EINECS(EC#)]

214-543-8
[Molecular Formula]

C15H12N2
[MDL Number]

MFCD00039675
[MOL File]

1145-01-3.mol
[Molecular Weight]

220.27
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

199-203 °C(lit.)
[Boiling point ]

351.21°C (rough estimate)
[density ]

1.1405 (rough estimate)
[refractive index ]

1.5000 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder
[pka]

13.04±0.10(Predicted)
[color ]

White
[BRN ]

158264
[InChI]

InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
[InChIKey]

JXHKUYQCEJILEI-UHFFFAOYSA-N
[SMILES]

N1C(C2=CC=CC=C2)=CC(C2=CC=CC=C2)=N1
[EPA Substance Registry System]

1H-Pyrazole, 3,5-diphenyl- (1145-01-3)
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

3,5-Diphenylpyrazole is an intermediate of the herbicides glyphosate and fenvalerate.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 89, p. 985, 1967 DOI: 10.1021/ja00980a041
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318-H335-H413
[Precautionary statements ]

P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
[Hazard Codes ]

Xn
[Risk Statements ]

22-37/38-41
[Safety Statements ]

26-39-24/25
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29331990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 4
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrazinium hydroxide solution-->Xylene-->Benzaldehyde-->Acetophenone-->5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one-->1,3-Diphenylacetone-->trans-Chalcone-->Dibenzoylmethane
[Preparation Products]

Difenzoquat methylsulfate-->3-(3,5-diphenylpyrazol-1-yl)propanenitrile
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-DIPHENYLPYRAZOLE(1145-01-3)1HNMR
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